1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C27H33N3O3S — CID 20887485

IUPAC1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C27H33N3O3S/c1-3-24-25(22-13-11-20(2)12-14-22)34(32,33)29-26(24)30-18-15-23(16-19-30)27(31)28-17-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-14,23H,3,7,10,15-19H2,1-2H3,(H,28,31)
InChIKeyBKYSITPHGDGZNR-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.32
Rot. Bonds7

About 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 20887485) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID20887485
Molecular FormulaC27H33N3O3S
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC Name1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C27H33N3O3S/c1-3-24-25(22-13-11-20(2)12-14-22)34(32,33)29-26(24)30-18-15-23(16-19-30)27(31)28-17-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-14,23H,3,7,10,15-19H2,1-2H3,(H,28,31)
InChIKeyBKYSITPHGDGZNR-UHFFFAOYSA-N
XLogP4.32
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943229
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 20887477
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20943242
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20943232
N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20887497
1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20943072
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943263
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20887471
N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943213
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46338211
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20889478

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 20887485) is 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is BKYSITPHGDGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-3-24-25(22-13-11-20(2)12-14-22)34(32,33)29-26(24)30-18-15-23(16-19-30)27(31)28-17-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-14,23H,3,7,10,15-19H2,1-2H3,(H,28,31).
What are the key properties of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 20887485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).